N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

C19H19ClF4N4O2 — CID 90146296

IUPACN-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)COCCC(N)N1
InChIInChI=1S/C19H19ClF4N4O2/c1-18(9-30-5-4-15(25)28-18)12-7-11(2-3-14(12)21)27-17(29)16-13(20)6-10(8-26-16)19(22,23)24/h2-3,6-8,15,28H,4-5,9,25H2,1H3,(H,27,29)/t15?,18-/m0/s1
InChIKeyGXFAWLLBKVVCFL-PKHIMPSTSA-N
MW446.83 g/mol
LogP3.66
Rot. Bonds3

About N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90146296) has the molecular formula C19H19ClF4N4O2 and a molecular weight of 446.83 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90146296
Molecular FormulaC19H19ClF4N4O2
Molecular Weight446.83 g/mol
Exact Mass446.11
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)COCCC(N)N1
InChIInChI=1S/C19H19ClF4N4O2/c1-18(9-30-5-4-15(25)28-18)12-7-11(2-3-14(12)21)27-17(29)16-13(20)6-10(8-26-16)19(22,23)24/h2-3,6-8,15,28H,4-5,9,25H2,1H3,(H,27,29)/t15?,18-/m0/s1
InChIKeyGXFAWLLBKVVCFL-PKHIMPSTSA-N
XLogP3.66
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 54576280
N-[(11bR)-2-amino-3,11b-dimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 130384112
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 54577144
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;formic acid
CID 54577143
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 140595592
N-[6-[[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]methyl]-5-fluoro-2-pyridinyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 163731357
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 71667731
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-9-oxa-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 71532073
N-[3-[(4R,4aS,7aS)-2-amino-4-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 89451719
N-[3-[(1R,5R)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 126583823
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 53241934
N-[3-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 53240498

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide (CID 90146296) is N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)COCCC(N)N1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GXFAWLLBKVVCFL-PKHIMPSTSA-N. The full InChI is InChI=1S/C19H19ClF4N4O2/c1-18(9-30-5-4-15(25)28-18)12-7-11(2-3-14(12)21)27-17(29)16-13(20)6-10(8-26-16)19(22,23)24/h2-3,6-8,15,28H,4-5,9,25H2,1H3,(H,27,29)/t15?,18-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 446.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3-methyl-1,4-oxazepan-3-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90146296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).